[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C15H18BrN2O2+ — CID 9332722

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)/p+1
InChIKeyOSUJOUBCVQIKGO-UHFFFAOYSA-O
MW338.23 g/mol
LogP2.00
Rot. Bonds5

About [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 9332722) has the molecular formula C15H18BrN2O2+ and a molecular weight of 338.23 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID9332722
Molecular FormulaC15H18BrN2O2+
Molecular Weight338.23 g/mol
Exact Mass337.05
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)/p+1
InChIKeyOSUJOUBCVQIKGO-UHFFFAOYSA-O
XLogP2.00
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303422
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9333240
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methylazanium
CID 9038482
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8552071
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]-methylazanium
CID 9303377
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(3-cyanophenyl)methyl]-methylazanium
CID 9303360
2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8790467
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9303229
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2S)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248120
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024560

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 9332722) is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is Cc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1ccco1.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is OSUJOUBCVQIKGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17BrN2O2/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)/p+1.
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 338.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 9332722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).